Be2NbFe2
Alexandria ALEXAlex-ID: agm005971663 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_1386_spg139
Be3Nb BeNb2Fe3 Be2Fe
2023-08-03 10:27:04.390215
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005971663).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005971663
data_agm005971663
_cell_length_a 3.28982
_cell_length_b 3.28982
_cell_length_c 10.94717
_cell_angle_alpha 98.64193
_cell_angle_beta 98.64193
_cell_angle_gamma 90.00000
_cell_volume 115.77439
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Be1 Be 0.75000 0.25000 0.50000 1.00000
Be2 Be 0.92908 0.92908 0.85816 1.00000
Be3 Be 0.07092 0.07092 0.14184 1.00000
Be4 Be 0.25000 0.75000 0.50000 1.00000
Nb1 Nb 0.61930 0.61930 0.23860 1.00000
Nb2 Nb 0.38070 0.38070 0.76140 1.00000
Fe1 Fe 0.00000 0.50000 0.00000 1.00000
Fe2 Fe 0.17305 0.17304 0.34609 1.00000
Fe3 Fe 0.50000 0.00000 0.00000 1.00000
Fe4 Fe 0.82695 0.82696 0.65391 1.00000
Get direct link